1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol

C19H19F3N4O2 — CID 18532951

IUPAC1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
SMILESOC(CNCCOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1)c1cccnc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18-25-11-16(26-18)13-3-5-15(6-4-13)28-9-8-24-12-17(27)14-2-1-7-23-10-14/h1-7,10-11,17,24,27H,8-9,12H2,(H,25,26)
InChIKeyFVZLAFYXHZWCOL-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.19
Rot. Bonds8

About 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol

1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol (PubChem CID 18532951) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol.

Molecular Properties

Compound Name1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
PubChem CID18532951
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
SMILESOC(CNCCOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1)c1cccnc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18-25-11-16(26-18)13-3-5-15(6-4-13)28-9-8-24-12-17(27)14-2-1-7-23-10-14/h1-7,10-11,17,24,27H,8-9,12H2,(H,25,26)
InChIKeyFVZLAFYXHZWCOL-UHFFFAOYSA-N
XLogP3.19
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
The IUPAC name of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol (CID 18532951) is 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol.
What is the SMILES notation for 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
The canonical SMILES for 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol is OC(CNCCOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
The InChIKey is FVZLAFYXHZWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)18-25-11-16(26-18)13-3-5-15(6-4-13)28-9-8-24-12-17(27)14-2-1-7-23-10-14/h1-7,10-11,17,24,27H,8-9,12H2,(H,25,26).
What are the key properties of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol has a molecular weight of 392.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol is sourced from PubChem (CID 18532951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).